4,7-菲咯啉-3-甲腈
TL;DR: 4,7-菲咯啉-3-甲腈 (CAS 57958-28-8) is a chemical compound with molecular formula C13H7N3 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,7-菲咯啉-3-甲腈
4,7-phenanthroline-3-carbonitrile
Also Known As: 4,7-phenanthroline-3-carbonitrile
| Molecular Formula | C13H7N3 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 205.064 |
| Heavy Atoms | 16 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 57958-28-8 |
|---|---|
| SMILES | C1=CC2=C(C=CC3=C2C=CC(=N3)C#N)N=C1 |
| InChIKey | KJWYBWFTTQIEKK-UHFFFAOYSA-N |
Product Overview
4,7-菲咯啉-3-甲腈 (CAS 57958-28-8), with molecular formula C13H7N3 and molecular weight 205.06 g/mol. IUPAC: 4,7-phenanthroline-3-carbonitrile.
Chemical Property Profile of 4,7-菲咯啉-3-甲腈
Property Insights of 4,7-菲咯啉-3-甲腈
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-菲咯啉-3-甲腈. With a topological polar surface area (TPSA) of 49.6 Ų, 4,7-菲咯啉-3-甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-菲咯啉-3-甲腈 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,7-菲咯啉-3-甲腈?
The CAS number of 4,7-菲咯啉-3-甲腈 is 57958-28-8.
What is the molecular formula of 4,7-菲咯啉-3-甲腈?
The molecular formula of 4,7-菲咯啉-3-甲腈 is C13H7N3.
What is the molecular weight of 4,7-菲咯啉-3-甲腈?
The molecular weight of 4,7-菲咯啉-3-甲腈 is 205.06 g/mol.
Where can I buy 4,7-菲咯啉-3-甲腈?
You can request a quote for 4,7-菲咯啉-3-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-菲咯啉-3-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 4,7-菲咯啉-3-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.